(5Z)-3-(2-bromobenzoyl)-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C17H9NO3BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-3-(2-bromobenzoyl)-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(2-bromobenzoyl)-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H9NO3BrFS |
| Smiles | O=C(c(cccc1)c1Br)N(C(/C(/S1)=C/c(cccc2)c2F)=O)C1=O |
| InChI | InChI=1S/C17H9BrFNO3S/c18-12-7-3-2-6-11(12)15(21)20-16(22)14(24-17(20)23)9-10-5-1-4-8-13(10)19/h1-9H |
| InChIK | QWVBRQBWLFTZCO-UHFFFAOYSA-N |
| TotalMolweight | 406.23 |
| Molweight | 406.23 |
| MonoisotopicMass | 404.947053 |
| CLogP | 4.0688 |
| CLogS | -5.387 |
| H Acceptors | 4 |
| TotalSurfaceArea | 250.25 |
| Relative PSA | 0.2404 |
| PolarSurfaceArea | 79.75 |
| Druglikeness | 0.1045 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(2-bromobenzoyl)-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-bromobenzoyl)-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
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